Understanding How Ligand Functionalization Influences CO2 and N2 Adsorption in a Sodalite Metal-Organic Framework.

ABSTRACT: In this work, a detailed study is conducted to understand how ligand substitution influences the CO2 and N2 adsorption properties of two highly crystalline sodalite metal-organic frameworks (MOFs) known as Cu-BTT (BTT-3 = 1,3,5-benzenetristetrazolate) and Cu-BTTri (BTTri-3 = 1,3,5-benzenetristriazolate). The enthalpy of adsorption and observed adsorption capacities at a given pressure are significantly lower for Cu-BTTri compared to its tetrazole counterpart, Cu-BTT. In situ X-ray and neutron diffraction, which allow visualization of the CO2 and N2 binding sites on the internal surface of Cu-BTTri, provide insights into understanding the subtle differences. As expected, slightly elongated distances between the open Cu2+ sites and surface-bound CO2 in Cu-BTTri can be explained by the fact t

SUBMITTER: Asgari M 

PROVIDER: S-EPMC7890575 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature